USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.142 USER MOD Set 2.2: A 53 GLN : amide:sc= 0.44 K(o=0.58,f=-5.4!) USER MOD Set 3.1: A 43 THR OG1 : rot -70:sc= 1.22 USER MOD Set 3.2: A 44 HIS :FLIP no HE2:sc= -0.156 F(o=-0.22,f=1.1) USER MOD Single : A 9 MET CE :methyl 179:sc=-0.00341 (180deg=-0.00407) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0463 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.219 F(o=-0.8,f=0.22) USER MOD Single : A 22 MET CE :methyl 168:sc=-0.000696 (180deg=-0.151) USER MOD Single : A 30 MET CE :methyl 155:sc= -0.189 (180deg=-1.12) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc=-0.00114 X(o=-0.0011,f=-0.0036) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.127 F(o=-0.95,f=-0.13) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.502 K(o=-0.5,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ -124:sc= 0.0746 (180deg=0) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.175 F(o=-1.2,f=-0.17) USER MOD Single : A 89 MET CE :methyl 170:sc= -1.06 (180deg=-1.47) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 92 THR OG1 : rot -59:sc= 1.01 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 15:sc= 0.44 USER MOD Single : A 101 SER OG : rot 72:sc= 1.28 USER MOD Single : A 102 THR OG1 : rot -45:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.307 29.889 32.683 1.00 1.00 N ATOM 77 CA VAL A 6 6.744 29.044 31.634 1.00 1.00 C ATOM 78 C VAL A 6 5.601 28.174 32.159 1.00 1.00 C ATOM 79 O VAL A 6 5.675 27.618 33.258 1.00 1.00 O ATOM 80 CB VAL A 6 7.796 28.123 31.012 1.00 1.00 C ATOM 81 CG1 VAL A 6 7.258 27.387 29.768 1.00 1.00 C ATOM 82 CG2 VAL A 6 9.019 28.956 30.602 1.00 1.00 C ATOM 0 HA VAL A 6 6.367 29.729 30.875 1.00 1.00 H new ATOM 0 HB VAL A 6 8.064 27.376 31.759 1.00 1.00 H new ATOM 0 HG11 VAL A 6 8.038 26.745 29.359 1.00 1.00 H new ATOM 0 HG12 VAL A 6 6.398 26.779 30.049 1.00 1.00 H new ATOM 0 HG13 VAL A 6 6.957 28.116 29.016 1.00 1.00 H new ATOM 0 HG21 VAL A 6 9.771 28.304 30.158 1.00 1.00 H new ATOM 0 HG22 VAL A 6 8.718 29.710 29.875 1.00 1.00 H new ATOM 0 HG23 VAL A 6 9.437 29.446 31.481 1.00 1.00 H new ATOM 92 N ILE A 7 4.519 28.008 31.380 1.00 1.00 N ATOM 93 CA ILE A 7 3.418 27.115 31.714 1.00 1.00 C ATOM 94 C ILE A 7 3.429 26.014 30.677 1.00 1.00 C ATOM 95 O ILE A 7 3.443 26.292 29.481 1.00 1.00 O ATOM 96 CB ILE A 7 2.046 27.795 31.687 1.00 1.00 C ATOM 97 CG1 ILE A 7 2.039 29.075 32.555 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.972 26.789 32.167 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.741 29.886 32.443 1.00 1.00 C ATOM 0 H ILE A 7 4.391 28.498 30.495 1.00 1.00 H new ATOM 0 HA ILE A 7 3.563 26.755 32.733 1.00 1.00 H new ATOM 0 HB ILE A 7 1.819 28.101 30.666 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.196 28.798 33.597 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.878 29.706 32.263 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.008 27.267 32.150 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.964 25.922 31.506 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.202 26.469 33.183 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.808 30.769 33.078 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.593 30.194 31.408 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.101 29.272 32.763 1.00 1.00 H new ATOM 111 N GLU A 8 3.442 24.733 31.091 1.00 1.00 N ATOM 112 CA GLU A 8 3.403 23.619 30.163 1.00 1.00 C ATOM 113 C GLU A 8 2.364 22.610 30.611 1.00 1.00 C ATOM 114 O GLU A 8 2.399 22.117 31.738 1.00 1.00 O ATOM 115 CB GLU A 8 4.800 22.966 30.038 1.00 1.00 C ATOM 116 CG GLU A 8 4.890 21.811 29.012 1.00 1.00 C ATOM 117 CD GLU A 8 6.331 21.392 28.796 1.00 1.00 C ATOM 118 OE1 GLU A 8 7.065 22.058 28.021 1.00 1.00 O ATOM 119 OE2 GLU A 8 6.770 20.397 29.431 1.00 1.00 O ATOM 0 H GLU A 8 3.480 24.457 32.072 1.00 1.00 H new ATOM 0 HA GLU A 8 3.121 23.988 29.177 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.521 23.735 29.761 1.00 1.00 H new ATOM 0 HB3 GLU A 8 5.097 22.588 31.016 1.00 1.00 H new ATOM 0 HG2 GLU A 8 4.308 20.959 29.365 1.00 1.00 H new ATOM 0 HG3 GLU A 8 4.452 22.126 28.065 1.00 1.00 H new ATOM 126 N MET A 9 1.381 22.300 29.745 1.00 1.00 N ATOM 127 CA MET A 9 0.338 21.337 30.038 1.00 1.00 C ATOM 128 C MET A 9 -0.156 20.702 28.746 1.00 1.00 C ATOM 129 O MET A 9 -0.262 21.357 27.714 1.00 1.00 O ATOM 130 CB MET A 9 -0.831 21.979 30.840 1.00 1.00 C ATOM 131 CG MET A 9 -1.543 23.160 30.138 1.00 1.00 C ATOM 132 SD MET A 9 -1.729 24.675 31.136 1.00 1.00 S ATOM 133 CE MET A 9 -2.781 24.034 32.468 1.00 1.00 C ATOM 0 H MET A 9 1.300 22.721 28.820 1.00 1.00 H new ATOM 0 HA MET A 9 0.759 20.557 30.672 1.00 1.00 H new ATOM 0 HB2 MET A 9 -1.570 21.207 31.055 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.445 22.327 31.798 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.989 23.409 29.233 1.00 1.00 H new ATOM 0 HG3 MET A 9 -2.533 22.829 29.825 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.982 24.828 33.187 1.00 1.00 H new ATOM 0 HE2 MET A 9 -3.722 23.677 32.049 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.272 23.211 32.970 1.00 1.00 H new ATOM 143 N GLN A 10 -0.442 19.382 28.754 1.00 1.00 N ATOM 144 CA GLN A 10 -0.932 18.608 27.617 1.00 1.00 C ATOM 145 C GLN A 10 0.013 18.564 26.405 1.00 1.00 C ATOM 146 O GLN A 10 -0.400 18.281 25.280 1.00 1.00 O ATOM 147 CB GLN A 10 -2.364 19.041 27.181 1.00 1.00 C ATOM 148 CG GLN A 10 -3.405 19.189 28.320 1.00 1.00 C ATOM 149 CD GLN A 10 -3.592 17.917 29.143 1.00 1.00 C ATOM 150 OE1 GLN A 10 -3.267 17.881 30.335 1.00 1.00 O ATOM 151 NE2 GLN A 10 -4.148 16.859 28.519 1.00 1.00 N ATOM 0 H GLN A 10 -0.330 18.813 29.593 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.973 17.587 27.996 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.290 19.994 26.657 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.740 18.311 26.464 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -3.095 19.998 28.982 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -4.364 19.478 27.890 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -4.404 16.925 27.534 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -4.313 15.993 29.032 1.00 1.00 H new ATOM 160 N GLY A 11 1.324 18.820 26.612 1.00 1.00 N ATOM 161 CA GLY A 11 2.327 18.995 25.554 1.00 1.00 C ATOM 162 C GLY A 11 2.365 20.376 24.926 1.00 1.00 C ATOM 163 O GLY A 11 3.188 20.657 24.050 1.00 1.00 O ATOM 0 H GLY A 11 1.718 18.912 27.548 1.00 1.00 H new ATOM 0 HA2 GLY A 11 3.311 18.773 25.967 1.00 1.00 H new ATOM 0 HA3 GLY A 11 2.138 18.261 24.770 1.00 1.00 H new ATOM 167 N LEU A 12 1.499 21.294 25.393 1.00 1.00 N ATOM 168 CA LEU A 12 1.420 22.672 24.951 1.00 1.00 C ATOM 169 C LEU A 12 2.150 23.536 25.964 1.00 1.00 C ATOM 170 O LEU A 12 1.905 23.446 27.165 1.00 1.00 O ATOM 171 CB LEU A 12 -0.066 23.117 24.863 1.00 1.00 C ATOM 172 CG LEU A 12 -0.316 24.523 24.277 1.00 1.00 C ATOM 173 CD1 LEU A 12 -0.070 24.568 22.763 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.745 24.998 24.589 1.00 1.00 C ATOM 0 H LEU A 12 0.814 21.074 26.116 1.00 1.00 H new ATOM 0 HA LEU A 12 1.874 22.775 23.965 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.607 22.391 24.257 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.496 23.080 25.864 1.00 1.00 H new ATOM 0 HG LEU A 12 0.398 25.196 24.752 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.258 25.576 22.394 1.00 1.00 H new ATOM 0 HD12 LEU A 12 0.963 24.292 22.554 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.741 23.868 22.264 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.899 25.991 24.167 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.463 24.303 24.153 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.888 25.037 25.669 1.00 1.00 H new ATOM 186 N SER A 13 3.092 24.385 25.515 1.00 1.00 N ATOM 187 CA SER A 13 3.889 25.220 26.399 1.00 1.00 C ATOM 188 C SER A 13 3.803 26.681 26.020 1.00 1.00 C ATOM 189 O SER A 13 3.682 27.041 24.853 1.00 1.00 O ATOM 190 CB SER A 13 5.375 24.783 26.520 1.00 1.00 C ATOM 191 OG SER A 13 6.066 24.774 25.270 1.00 1.00 O ATOM 0 H SER A 13 3.314 24.503 24.526 1.00 1.00 H new ATOM 0 HA SER A 13 3.445 25.080 27.385 1.00 1.00 H new ATOM 0 HB2 SER A 13 5.889 25.456 27.206 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.419 23.786 26.958 1.00 1.00 H new ATOM 0 HG SER A 13 6.994 24.493 25.411 1.00 1.00 H new ATOM 197 N LEU A 14 3.824 27.569 27.029 1.00 1.00 N ATOM 198 CA LEU A 14 3.727 29.001 26.854 1.00 1.00 C ATOM 199 C LEU A 14 4.694 29.691 27.798 1.00 1.00 C ATOM 200 O LEU A 14 4.692 29.438 29.000 1.00 1.00 O ATOM 201 CB LEU A 14 2.269 29.457 27.125 1.00 1.00 C ATOM 202 CG LEU A 14 1.956 30.963 26.970 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.496 31.149 26.542 1.00 1.00 C ATOM 204 CD2 LEU A 14 2.170 31.770 28.258 1.00 1.00 C ATOM 0 H LEU A 14 3.911 27.289 28.006 1.00 1.00 H new ATOM 0 HA LEU A 14 3.989 29.270 25.831 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.613 28.905 26.452 1.00 1.00 H new ATOM 0 HB3 LEU A 14 2.006 29.161 28.141 1.00 1.00 H new ATOM 0 HG LEU A 14 2.652 31.336 26.218 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.281 32.212 26.434 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.329 30.647 25.589 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.162 30.721 27.298 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.931 32.818 28.075 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.521 31.382 29.043 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.210 31.684 28.572 1.00 1.00 H new ATOM 216 N ASP A 15 5.542 30.602 27.281 1.00 1.00 N ATOM 217 CA ASP A 15 6.464 31.397 28.073 1.00 1.00 C ATOM 218 C ASP A 15 5.968 32.850 28.035 1.00 1.00 C ATOM 219 O ASP A 15 5.982 33.461 26.958 1.00 1.00 O ATOM 220 CB ASP A 15 7.904 31.240 27.503 1.00 1.00 C ATOM 221 CG ASP A 15 8.997 31.951 28.288 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.807 33.127 28.694 1.00 1.00 O ATOM 223 OD2 ASP A 15 10.083 31.345 28.486 1.00 1.00 O ATOM 0 H ASP A 15 5.596 30.800 26.282 1.00 1.00 H new ATOM 0 HA ASP A 15 6.500 31.067 29.111 1.00 1.00 H new ATOM 0 HB2 ASP A 15 8.145 30.178 27.458 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.914 31.613 26.479 1.00 1.00 H new ATOM 228 N PRO A 16 5.516 33.461 29.141 1.00 1.00 N ATOM 229 CA PRO A 16 4.977 34.819 29.127 1.00 1.00 C ATOM 230 C PRO A 16 6.038 35.870 28.904 1.00 1.00 C ATOM 231 O PRO A 16 5.705 36.991 28.529 1.00 1.00 O ATOM 232 CB PRO A 16 4.343 35.004 30.518 1.00 1.00 C ATOM 233 CG PRO A 16 4.045 33.582 30.990 1.00 1.00 C ATOM 234 CD PRO A 16 5.198 32.777 30.399 1.00 1.00 C ATOM 0 HA PRO A 16 4.270 34.940 28.307 1.00 1.00 H new ATOM 0 HB2 PRO A 16 5.023 35.515 31.200 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.434 35.604 30.464 1.00 1.00 H new ATOM 0 HG2 PRO A 16 4.021 33.514 32.078 1.00 1.00 H new ATOM 0 HG3 PRO A 16 3.079 33.230 30.627 1.00 1.00 H new ATOM 0 HD2 PRO A 16 6.057 32.761 31.070 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.910 31.740 30.225 1.00 1.00 H new ATOM 242 N THR A 17 7.317 35.568 29.175 1.00 1.00 N ATOM 243 CA THR A 17 8.392 36.548 29.078 1.00 1.00 C ATOM 244 C THR A 17 8.900 36.627 27.664 1.00 1.00 C ATOM 245 O THR A 17 9.048 37.708 27.100 1.00 1.00 O ATOM 246 CB THR A 17 9.543 36.275 30.030 1.00 1.00 C ATOM 247 OG1 THR A 17 9.022 35.997 31.324 1.00 1.00 O ATOM 248 CG2 THR A 17 10.433 37.517 30.166 1.00 1.00 C ATOM 0 H THR A 17 7.627 34.641 29.465 1.00 1.00 H new ATOM 0 HA THR A 17 7.963 37.506 29.373 1.00 1.00 H new ATOM 0 HB THR A 17 10.118 35.436 29.638 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.761 35.818 31.943 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.253 37.304 30.852 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.837 37.784 29.189 1.00 1.00 H new ATOM 0 HG23 THR A 17 9.842 38.347 30.553 1.00 1.00 H new ATOM 256 N SER A 18 9.108 35.470 27.004 1.00 1.00 N ATOM 257 CA SER A 18 9.485 35.451 25.592 1.00 1.00 C ATOM 258 C SER A 18 8.310 35.700 24.667 1.00 1.00 C ATOM 259 O SER A 18 8.501 35.983 23.488 1.00 1.00 O ATOM 260 CB SER A 18 10.135 34.116 25.135 1.00 1.00 C ATOM 261 OG SER A 18 11.445 33.970 25.683 1.00 1.00 O ATOM 0 H SER A 18 9.020 34.547 27.430 1.00 1.00 H new ATOM 0 HA SER A 18 10.213 36.259 25.519 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.511 33.278 25.447 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.187 34.087 24.047 1.00 1.00 H new ATOM 0 HG SER A 18 11.833 33.122 25.382 1.00 1.00 H new ATOM 267 N HIS A 19 7.060 35.593 25.167 1.00 1.00 N ATOM 268 CA HIS A 19 5.827 35.748 24.396 1.00 1.00 C ATOM 269 C HIS A 19 5.648 34.614 23.394 1.00 1.00 C ATOM 270 O HIS A 19 5.174 34.807 22.277 1.00 1.00 O ATOM 271 CB HIS A 19 5.676 37.125 23.683 1.00 1.00 C ATOM 272 CG HIS A 19 6.047 38.304 24.544 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.965 38.497 25.881 1.00 1.00 N flip ATOM 274 CD2 HIS A 19 6.600 39.437 24.014 1.00 1.00 C flip ATOM 275 CE1 HIS A 19 6.502 39.731 26.139 1.00 1.00 C flip ATOM 276 NE2 HIS A 19 6.875 40.283 24.996 1.00 1.00 N flip ATOM 0 H HIS A 19 6.886 35.390 26.151 1.00 1.00 H new ATOM 0 HA HIS A 19 5.032 35.705 25.140 1.00 1.00 H new ATOM 0 HB2 HIS A 19 6.300 37.130 22.789 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.644 37.240 23.352 1.00 1.00 H new ATOM 0 HD1 HIS A 19 5.578 37.848 26.566 1.00 1.00 H new ATOM 0 HD2 HIS A 19 6.783 39.614 22.964 1.00 1.00 H new ATOM 0 HE1 HIS A 19 6.604 40.180 27.116 1.00 1.00 H new ATOM 285 N ARG A 20 6.042 33.391 23.791 1.00 1.00 N ATOM 286 CA ARG A 20 6.258 32.271 22.898 1.00 1.00 C ATOM 287 C ARG A 20 5.313 31.139 23.254 1.00 1.00 C ATOM 288 O ARG A 20 5.165 30.809 24.429 1.00 1.00 O ATOM 289 CB ARG A 20 7.721 31.787 23.076 1.00 1.00 C ATOM 290 CG ARG A 20 8.230 30.763 22.044 1.00 1.00 C ATOM 291 CD ARG A 20 9.629 30.230 22.393 1.00 1.00 C ATOM 292 NE ARG A 20 10.133 29.495 21.188 1.00 1.00 N ATOM 293 CZ ARG A 20 11.209 28.697 21.188 1.00 1.00 C ATOM 294 NH1 ARG A 20 11.760 28.251 22.311 1.00 1.00 N ATOM 295 NH2 ARG A 20 11.733 28.323 20.021 1.00 1.00 N ATOM 0 H ARG A 20 6.220 33.163 24.769 1.00 1.00 H new ATOM 0 HA ARG A 20 6.075 32.575 21.867 1.00 1.00 H new ATOM 0 HB2 ARG A 20 8.376 32.658 23.046 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.818 31.349 24.069 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.530 29.930 21.987 1.00 1.00 H new ATOM 0 HG3 ARG A 20 8.256 31.226 21.058 1.00 1.00 H new ATOM 0 HD2 ARG A 20 10.300 31.049 22.653 1.00 1.00 H new ATOM 0 HD3 ARG A 20 9.584 29.568 23.258 1.00 1.00 H new ATOM 0 HE ARG A 20 9.624 29.610 20.312 1.00 1.00 H new ATOM 0 HH11 ARG A 20 11.364 28.515 23.213 1.00 1.00 H new ATOM 0 HH12 ARG A 20 12.579 27.645 22.271 1.00 1.00 H new ATOM 0 HH21 ARG A 20 11.315 28.644 19.148 1.00 1.00 H new ATOM 0 HH22 ARG A 20 12.552 27.716 20.001 1.00 1.00 H new ATOM 309 N VAL A 21 4.646 30.526 22.255 1.00 1.00 N ATOM 310 CA VAL A 21 3.776 29.372 22.446 1.00 1.00 C ATOM 311 C VAL A 21 4.313 28.238 21.596 1.00 1.00 C ATOM 312 O VAL A 21 4.622 28.434 20.421 1.00 1.00 O ATOM 313 CB VAL A 21 2.322 29.623 22.033 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.433 28.425 22.432 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.804 30.897 22.717 1.00 1.00 C ATOM 0 H VAL A 21 4.705 30.831 21.283 1.00 1.00 H new ATOM 0 HA VAL A 21 3.774 29.142 23.512 1.00 1.00 H new ATOM 0 HB VAL A 21 2.282 29.746 20.951 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.404 28.620 22.131 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.792 27.524 21.935 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.475 28.284 23.512 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.770 31.074 22.422 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.857 30.776 23.799 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.417 31.746 22.416 1.00 1.00 H new ATOM 325 N MET A 22 4.440 27.019 22.155 1.00 1.00 N ATOM 326 CA MET A 22 4.880 25.851 21.417 1.00 1.00 C ATOM 327 C MET A 22 3.977 24.664 21.689 1.00 1.00 C ATOM 328 O MET A 22 3.359 24.546 22.743 1.00 1.00 O ATOM 329 CB MET A 22 6.326 25.415 21.775 1.00 1.00 C ATOM 330 CG MET A 22 7.392 26.520 21.664 1.00 1.00 C ATOM 331 SD MET A 22 9.075 25.917 21.990 1.00 1.00 S ATOM 332 CE MET A 22 9.357 25.128 20.380 1.00 1.00 C ATOM 0 H MET A 22 4.236 26.831 23.137 1.00 1.00 H new ATOM 0 HA MET A 22 4.843 26.146 20.368 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.330 25.030 22.795 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.612 24.590 21.122 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.355 26.954 20.665 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.155 27.318 22.368 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.412 24.873 20.279 1.00 1.00 H new ATOM 0 HE2 MET A 22 8.756 24.221 20.309 1.00 1.00 H new ATOM 0 HE3 MET A 22 9.072 25.815 19.583 1.00 1.00 H new ATOM 342 N ALA A 23 3.901 23.724 20.733 1.00 1.00 N ATOM 343 CA ALA A 23 3.242 22.449 20.909 1.00 1.00 C ATOM 344 C ALA A 23 4.224 21.376 20.498 1.00 1.00 C ATOM 345 O ALA A 23 4.774 21.406 19.394 1.00 1.00 O ATOM 346 CB ALA A 23 1.964 22.345 20.058 1.00 1.00 C ATOM 0 H ALA A 23 4.307 23.845 19.805 1.00 1.00 H new ATOM 0 HA ALA A 23 2.940 22.334 21.950 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.498 21.373 20.218 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.269 23.133 20.348 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.219 22.456 19.004 1.00 1.00 H new ATOM 352 N GLY A 24 4.504 20.407 21.399 1.00 1.00 N ATOM 353 CA GLY A 24 5.594 19.449 21.225 1.00 1.00 C ATOM 354 C GLY A 24 6.940 20.115 21.048 1.00 1.00 C ATOM 355 O GLY A 24 7.444 20.776 21.958 1.00 1.00 O ATOM 0 H GLY A 24 3.976 20.276 22.262 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.632 18.788 22.091 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.386 18.824 20.356 1.00 1.00 H new ATOM 359 N GLU A 25 7.532 19.966 19.851 1.00 1.00 N ATOM 360 CA GLU A 25 8.824 20.516 19.491 1.00 1.00 C ATOM 361 C GLU A 25 8.738 21.754 18.592 1.00 1.00 C ATOM 362 O GLU A 25 9.768 22.287 18.179 1.00 1.00 O ATOM 363 CB GLU A 25 9.664 19.414 18.783 1.00 1.00 C ATOM 364 CG GLU A 25 9.023 18.840 17.492 1.00 1.00 C ATOM 365 CD GLU A 25 9.846 17.735 16.854 1.00 1.00 C ATOM 366 OE1 GLU A 25 10.116 16.701 17.523 1.00 1.00 O ATOM 367 OE2 GLU A 25 10.184 17.854 15.646 1.00 1.00 O ATOM 0 H GLU A 25 7.100 19.440 19.091 1.00 1.00 H new ATOM 0 HA GLU A 25 9.299 20.842 20.416 1.00 1.00 H new ATOM 0 HB2 GLU A 25 10.642 19.825 18.535 1.00 1.00 H new ATOM 0 HB3 GLU A 25 9.831 18.596 19.484 1.00 1.00 H new ATOM 0 HG2 GLU A 25 8.031 18.455 17.727 1.00 1.00 H new ATOM 0 HG3 GLU A 25 8.889 19.647 16.771 1.00 1.00 H new ATOM 374 N GLU A 26 7.522 22.261 18.267 1.00 1.00 N ATOM 375 CA GLU A 26 7.344 23.322 17.276 1.00 1.00 C ATOM 376 C GLU A 26 6.607 24.549 17.824 1.00 1.00 C ATOM 377 O GLU A 26 5.655 24.382 18.592 1.00 1.00 O ATOM 378 CB GLU A 26 6.562 22.812 16.042 1.00 1.00 C ATOM 379 CG GLU A 26 7.267 21.623 15.354 1.00 1.00 C ATOM 380 CD GLU A 26 6.695 21.319 13.988 1.00 1.00 C ATOM 381 OE1 GLU A 26 5.605 20.693 13.908 1.00 1.00 O ATOM 382 OE2 GLU A 26 7.355 21.679 12.976 1.00 1.00 O ATOM 0 H GLU A 26 6.650 21.940 18.688 1.00 1.00 H new ATOM 0 HA GLU A 26 8.355 23.620 16.998 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.560 22.510 16.348 1.00 1.00 H new ATOM 0 HB3 GLU A 26 6.445 23.626 15.327 1.00 1.00 H new ATOM 0 HG2 GLU A 26 8.330 21.842 15.258 1.00 1.00 H new ATOM 0 HG3 GLU A 26 7.180 20.739 15.985 1.00 1.00 H new ATOM 389 N PRO A 27 6.984 25.795 17.498 1.00 1.00 N ATOM 390 CA PRO A 27 6.238 26.988 17.885 1.00 1.00 C ATOM 391 C PRO A 27 4.915 27.151 17.150 1.00 1.00 C ATOM 392 O PRO A 27 4.699 26.533 16.106 1.00 1.00 O ATOM 393 CB PRO A 27 7.200 28.124 17.519 1.00 1.00 C ATOM 394 CG PRO A 27 7.873 27.614 16.248 1.00 1.00 C ATOM 395 CD PRO A 27 8.045 26.122 16.538 1.00 1.00 C ATOM 0 HA PRO A 27 5.951 26.955 18.936 1.00 1.00 H new ATOM 0 HB2 PRO A 27 6.670 29.061 17.346 1.00 1.00 H new ATOM 0 HB3 PRO A 27 7.925 28.309 18.312 1.00 1.00 H new ATOM 0 HG2 PRO A 27 7.257 27.787 15.366 1.00 1.00 H new ATOM 0 HG3 PRO A 27 8.830 28.105 16.070 1.00 1.00 H new ATOM 0 HD2 PRO A 27 7.950 25.530 15.628 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.031 25.912 16.953 1.00 1.00 H new ATOM 403 N LEU A 28 4.019 28.002 17.682 1.00 1.00 N ATOM 404 CA LEU A 28 2.712 28.273 17.113 1.00 1.00 C ATOM 405 C LEU A 28 2.517 29.767 16.865 1.00 1.00 C ATOM 406 O LEU A 28 3.250 30.622 17.367 1.00 1.00 O ATOM 407 CB LEU A 28 1.580 27.753 18.036 1.00 1.00 C ATOM 408 CG LEU A 28 1.593 26.227 18.280 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.478 25.861 19.265 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.422 25.409 16.989 1.00 1.00 C ATOM 0 H LEU A 28 4.200 28.526 18.538 1.00 1.00 H new ATOM 0 HA LEU A 28 2.662 27.746 16.160 1.00 1.00 H new ATOM 0 HB2 LEU A 28 1.652 28.261 18.998 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.620 28.029 17.601 1.00 1.00 H new ATOM 0 HG LEU A 28 2.572 25.977 18.689 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.485 24.785 19.439 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.640 26.382 20.208 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.486 26.155 18.849 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.440 24.345 17.227 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.470 25.661 16.522 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.235 25.640 16.301 1.00 1.00 H new ATOM 422 N GLU A 29 1.518 30.119 16.033 1.00 1.00 N ATOM 423 CA GLU A 29 1.309 31.460 15.520 1.00 1.00 C ATOM 424 C GLU A 29 -0.017 32.043 15.974 1.00 1.00 C ATOM 425 O GLU A 29 -1.082 31.489 15.704 1.00 1.00 O ATOM 426 CB GLU A 29 1.340 31.415 13.970 1.00 1.00 C ATOM 427 CG GLU A 29 1.053 32.754 13.245 1.00 1.00 C ATOM 428 CD GLU A 29 2.073 33.840 13.506 1.00 1.00 C ATOM 429 OE1 GLU A 29 3.208 33.560 13.969 1.00 1.00 O ATOM 430 OE2 GLU A 29 1.768 35.024 13.213 1.00 1.00 O ATOM 0 H GLU A 29 0.823 29.451 15.699 1.00 1.00 H new ATOM 0 HA GLU A 29 2.103 32.097 15.908 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.321 31.058 13.656 1.00 1.00 H new ATOM 0 HB3 GLU A 29 0.610 30.679 13.633 1.00 1.00 H new ATOM 0 HG2 GLU A 29 1.005 32.569 12.172 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.071 33.115 13.550 1.00 1.00 H new ATOM 437 N MET A 30 0.021 33.200 16.668 1.00 1.00 N ATOM 438 CA MET A 30 -1.162 33.911 17.096 1.00 1.00 C ATOM 439 C MET A 30 -0.802 35.356 17.398 1.00 1.00 C ATOM 440 O MET A 30 0.380 35.688 17.554 1.00 1.00 O ATOM 441 CB MET A 30 -1.807 33.256 18.343 1.00 1.00 C ATOM 442 CG MET A 30 -0.960 33.319 19.633 1.00 1.00 C ATOM 443 SD MET A 30 -1.637 32.353 21.018 1.00 1.00 S ATOM 444 CE MET A 30 -1.212 30.725 20.332 1.00 1.00 C ATOM 0 H MET A 30 0.892 33.656 16.941 1.00 1.00 H new ATOM 0 HA MET A 30 -1.892 33.870 16.288 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.765 33.740 18.533 1.00 1.00 H new ATOM 0 HB3 MET A 30 -2.017 32.211 18.116 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.045 32.961 19.412 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.866 34.360 19.942 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.112 30.003 21.143 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.999 30.400 19.652 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.269 30.794 19.789 1.00 1.00 H new ATOM 454 N GLY A 31 -1.803 36.261 17.483 1.00 1.00 N ATOM 455 CA GLY A 31 -1.581 37.660 17.817 1.00 1.00 C ATOM 456 C GLY A 31 -1.542 37.911 19.309 1.00 1.00 C ATOM 457 O GLY A 31 -1.767 37.004 20.115 1.00 1.00 O ATOM 0 H GLY A 31 -2.783 36.028 17.319 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.641 37.989 17.374 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.372 38.264 17.373 1.00 1.00 H new ATOM 461 N PRO A 32 -1.295 39.142 19.736 1.00 1.00 N ATOM 462 CA PRO A 32 -1.097 39.459 21.146 1.00 1.00 C ATOM 463 C PRO A 32 -2.384 39.390 21.948 1.00 1.00 C ATOM 464 O PRO A 32 -2.318 39.041 23.127 1.00 1.00 O ATOM 465 CB PRO A 32 -0.448 40.855 21.147 1.00 1.00 C ATOM 466 CG PRO A 32 -0.770 41.446 19.770 1.00 1.00 C ATOM 467 CD PRO A 32 -0.845 40.221 18.859 1.00 1.00 C ATOM 0 HA PRO A 32 -0.459 38.728 21.643 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -0.851 41.476 21.947 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.628 40.789 21.306 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.711 41.996 19.780 1.00 1.00 H new ATOM 0 HG3 PRO A 32 0.002 42.142 19.442 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.541 40.380 18.036 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.125 39.995 18.417 1.00 1.00 H new ATOM 475 N THR A 33 -3.560 39.699 21.357 1.00 1.00 N ATOM 476 CA THR A 33 -4.868 39.508 21.996 1.00 1.00 C ATOM 477 C THR A 33 -5.173 38.040 22.248 1.00 1.00 C ATOM 478 O THR A 33 -5.610 37.664 23.336 1.00 1.00 O ATOM 479 CB THR A 33 -6.030 40.144 21.231 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.776 41.526 21.038 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.350 40.052 22.010 1.00 1.00 C ATOM 0 H THR A 33 -3.621 40.090 20.417 1.00 1.00 H new ATOM 0 HA THR A 33 -4.782 40.028 22.950 1.00 1.00 H new ATOM 0 HB THR A 33 -6.116 39.604 20.288 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.521 41.930 20.546 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.148 40.516 21.430 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.594 39.005 22.190 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.247 40.570 22.964 1.00 1.00 H new ATOM 489 N GLU A 34 -4.891 37.144 21.272 1.00 1.00 N ATOM 490 CA GLU A 34 -4.987 35.703 21.473 1.00 1.00 C ATOM 491 C GLU A 34 -4.016 35.191 22.526 1.00 1.00 C ATOM 492 O GLU A 34 -4.382 34.372 23.364 1.00 1.00 O ATOM 493 CB GLU A 34 -4.750 34.880 20.183 1.00 1.00 C ATOM 494 CG GLU A 34 -5.893 34.935 19.143 1.00 1.00 C ATOM 495 CD GLU A 34 -5.737 36.075 18.162 1.00 1.00 C ATOM 496 OE1 GLU A 34 -4.715 36.085 17.424 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.643 36.943 18.088 1.00 1.00 O ATOM 0 H GLU A 34 -4.594 37.411 20.334 1.00 1.00 H new ATOM 0 HA GLU A 34 -6.015 35.559 21.807 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.834 35.233 19.710 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.584 33.839 20.461 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.926 33.993 18.596 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.846 35.036 19.662 1.00 1.00 H new ATOM 504 N PHE A 35 -2.761 35.688 22.539 1.00 1.00 N ATOM 505 CA PHE A 35 -1.771 35.353 23.552 1.00 1.00 C ATOM 506 C PHE A 35 -2.216 35.747 24.964 1.00 1.00 C ATOM 507 O PHE A 35 -2.117 34.964 25.907 1.00 1.00 O ATOM 508 CB PHE A 35 -0.420 36.035 23.188 1.00 1.00 C ATOM 509 CG PHE A 35 0.713 35.520 24.037 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.447 34.395 23.628 1.00 1.00 C ATOM 511 CD2 PHE A 35 1.022 36.125 25.269 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.449 33.864 24.451 1.00 1.00 C ATOM 513 CE2 PHE A 35 2.016 35.585 26.097 1.00 1.00 C ATOM 514 CZ PHE A 35 2.723 34.449 25.690 1.00 1.00 C ATOM 0 H PHE A 35 -2.416 36.339 21.834 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.651 34.270 23.562 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.195 35.858 22.136 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.511 37.113 23.318 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.238 33.936 22.673 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.490 37.012 25.579 1.00 1.00 H new ATOM 0 HE1 PHE A 35 3.011 33.000 24.127 1.00 1.00 H new ATOM 0 HE2 PHE A 35 2.236 36.046 27.049 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.480 34.024 26.333 1.00 1.00 H new ATOM 524 N LYS A 36 -2.773 36.963 25.131 1.00 1.00 N ATOM 525 CA LYS A 36 -3.302 37.455 26.393 1.00 1.00 C ATOM 526 C LYS A 36 -4.472 36.622 26.910 1.00 1.00 C ATOM 527 O LYS A 36 -4.544 36.268 28.089 1.00 1.00 O ATOM 528 CB LYS A 36 -3.734 38.930 26.218 1.00 1.00 C ATOM 529 CG LYS A 36 -3.901 39.723 27.523 1.00 1.00 C ATOM 530 CD LYS A 36 -4.152 41.212 27.231 1.00 1.00 C ATOM 531 CE LYS A 36 -4.353 42.069 28.484 1.00 1.00 C ATOM 532 NZ LYS A 36 -4.635 43.456 28.089 1.00 1.00 N ATOM 0 H LYS A 36 -2.864 37.635 24.369 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.511 37.374 27.138 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.996 39.436 25.596 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.679 38.953 25.674 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -4.733 39.315 28.097 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -3.007 39.614 28.137 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.309 41.607 26.665 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -5.033 41.303 26.596 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -5.177 41.675 29.079 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.461 42.032 29.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -4.772 44.038 28.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -3.836 43.830 27.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -5.498 43.483 27.509 1.00 1.00 H new ATOM 546 N LEU A 37 -5.397 36.246 26.003 1.00 1.00 N ATOM 547 CA LEU A 37 -6.489 35.327 26.264 1.00 1.00 C ATOM 548 C LEU A 37 -6.027 33.916 26.618 1.00 1.00 C ATOM 549 O LEU A 37 -6.489 33.318 27.588 1.00 1.00 O ATOM 550 CB LEU A 37 -7.411 35.304 25.017 1.00 1.00 C ATOM 551 CG LEU A 37 -8.654 34.392 25.089 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.558 34.708 26.289 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.453 34.494 23.780 1.00 1.00 C ATOM 0 H LEU A 37 -5.391 36.593 25.044 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.027 35.684 27.142 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.747 36.323 24.824 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.814 34.998 24.158 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.296 33.372 25.227 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.415 34.035 26.286 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -8.995 34.576 27.213 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -9.906 35.739 26.221 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.329 33.848 23.837 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.772 35.525 23.628 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.825 34.181 22.945 1.00 1.00 H new ATOM 565 N LEU A 38 -5.054 33.356 25.872 1.00 1.00 N ATOM 566 CA LEU A 38 -4.461 32.059 26.144 1.00 1.00 C ATOM 567 C LEU A 38 -3.714 32.007 27.469 1.00 1.00 C ATOM 568 O LEU A 38 -3.834 31.047 28.225 1.00 1.00 O ATOM 569 CB LEU A 38 -3.537 31.611 24.986 1.00 1.00 C ATOM 570 CG LEU A 38 -2.989 30.168 25.097 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.097 29.104 25.189 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.067 29.853 23.913 1.00 1.00 C ATOM 0 H LEU A 38 -4.660 33.813 25.050 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.294 31.360 26.224 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.086 31.702 24.049 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.693 32.299 24.929 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.427 30.126 26.030 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.646 28.115 25.265 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.710 29.292 26.071 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.721 29.151 24.297 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.690 28.835 24.006 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.625 29.950 22.982 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.230 30.551 23.908 1.00 1.00 H new ATOM 584 N HIS A 39 -2.959 33.067 27.823 1.00 1.00 N ATOM 585 CA HIS A 39 -2.321 33.193 29.125 1.00 1.00 C ATOM 586 C HIS A 39 -3.323 33.210 30.278 1.00 1.00 C ATOM 587 O HIS A 39 -3.127 32.542 31.294 1.00 1.00 O ATOM 588 CB HIS A 39 -1.423 34.451 29.191 1.00 1.00 C ATOM 589 CG HIS A 39 -0.557 34.519 30.416 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.181 35.756 30.906 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.001 33.527 31.162 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.597 35.491 31.945 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.735 34.158 32.140 1.00 1.00 N ATOM 0 H HIS A 39 -2.781 33.857 27.202 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.702 32.304 29.242 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -0.786 34.477 28.307 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.055 35.338 29.155 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.114 32.463 31.017 1.00 1.00 H new ATOM 0 HE1 HIS A 39 1.064 36.245 32.561 1.00 1.00 H new ATOM 0 HE2 HIS A 39 1.281 33.706 32.873 1.00 1.00 H new ATOM 601 N PHE A 40 -4.463 33.921 30.122 1.00 1.00 N ATOM 602 CA PHE A 40 -5.572 33.860 31.065 1.00 1.00 C ATOM 603 C PHE A 40 -6.161 32.448 31.168 1.00 1.00 C ATOM 604 O PHE A 40 -6.360 31.925 32.259 1.00 1.00 O ATOM 605 CB PHE A 40 -6.669 34.903 30.681 1.00 1.00 C ATOM 606 CG PHE A 40 -7.855 34.840 31.613 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.754 35.310 32.932 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.041 34.203 31.204 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.811 35.124 33.835 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.096 34.013 32.105 1.00 1.00 C ATOM 611 CZ PHE A 40 -9.977 34.466 33.424 1.00 1.00 C ATOM 0 H PHE A 40 -4.627 34.549 29.335 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.183 34.112 32.052 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.241 35.905 30.705 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.000 34.722 29.659 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.857 35.818 33.253 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.139 33.857 30.185 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.726 35.488 34.848 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.000 33.518 31.783 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.784 34.308 34.124 1.00 1.00 H new ATOM 621 N PHE A 41 -6.406 31.767 30.033 1.00 1.00 N ATOM 622 CA PHE A 41 -6.878 30.393 30.016 1.00 1.00 C ATOM 623 C PHE A 41 -5.927 29.377 30.653 1.00 1.00 C ATOM 624 O PHE A 41 -6.346 28.529 31.435 1.00 1.00 O ATOM 625 CB PHE A 41 -7.183 29.955 28.559 1.00 1.00 C ATOM 626 CG PHE A 41 -8.510 30.440 28.023 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.686 30.469 28.801 1.00 1.00 C ATOM 628 CD2 PHE A 41 -8.606 30.757 26.658 1.00 1.00 C ATOM 629 CE1 PHE A 41 -10.917 30.814 28.229 1.00 1.00 C ATOM 630 CE2 PHE A 41 -9.836 31.096 26.080 1.00 1.00 C ATOM 631 CZ PHE A 41 -10.992 31.130 26.868 1.00 1.00 C ATOM 0 H PHE A 41 -6.278 32.167 29.104 1.00 1.00 H new ATOM 0 HA PHE A 41 -7.779 30.394 30.630 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.388 30.320 27.909 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.161 28.866 28.508 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.637 30.222 29.851 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.717 30.739 26.044 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -11.808 30.836 28.838 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -9.892 31.331 25.027 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.940 31.400 26.427 1.00 1.00 H new ATOM 641 N MET A 42 -4.609 29.446 30.391 1.00 1.00 N ATOM 642 CA MET A 42 -3.638 28.518 30.959 1.00 1.00 C ATOM 643 C MET A 42 -3.327 28.790 32.430 1.00 1.00 C ATOM 644 O MET A 42 -2.826 27.925 33.148 1.00 1.00 O ATOM 645 CB MET A 42 -2.332 28.536 30.132 1.00 1.00 C ATOM 646 CG MET A 42 -2.521 27.941 28.719 1.00 1.00 C ATOM 647 SD MET A 42 -1.047 27.968 27.654 1.00 1.00 S ATOM 648 CE MET A 42 -0.155 26.560 28.372 1.00 1.00 C ATOM 0 H MET A 42 -4.196 30.150 29.779 1.00 1.00 H new ATOM 0 HA MET A 42 -4.096 27.530 30.913 1.00 1.00 H new ATOM 0 HB2 MET A 42 -1.974 29.562 30.046 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.563 27.973 30.660 1.00 1.00 H new ATOM 0 HG2 MET A 42 -2.856 26.909 28.820 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.320 28.487 28.218 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.787 26.418 27.843 1.00 1.00 H new ATOM 0 HE2 MET A 42 0.046 26.755 29.425 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.762 25.659 28.279 1.00 1.00 H new ATOM 658 N THR A 43 -3.676 29.988 32.937 1.00 1.00 N ATOM 659 CA THR A 43 -3.631 30.297 34.367 1.00 1.00 C ATOM 660 C THR A 43 -4.994 30.092 35.010 1.00 1.00 C ATOM 661 O THR A 43 -5.146 30.220 36.222 1.00 1.00 O ATOM 662 CB THR A 43 -3.151 31.714 34.688 1.00 1.00 C ATOM 663 OG1 THR A 43 -3.851 32.715 33.959 1.00 1.00 O ATOM 664 CG2 THR A 43 -1.669 31.859 34.328 1.00 1.00 C ATOM 0 H THR A 43 -3.997 30.766 32.360 1.00 1.00 H new ATOM 0 HA THR A 43 -2.898 29.603 34.779 1.00 1.00 H new ATOM 0 HB THR A 43 -3.331 31.856 35.754 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.602 32.665 33.013 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.336 32.871 34.560 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.083 31.143 34.904 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.533 31.667 33.264 1.00 1.00 H new ATOM 672 N HIS A 44 -6.024 29.713 34.226 1.00 1.00 N ATOM 673 CA HIS A 44 -7.351 29.393 34.744 1.00 1.00 C ATOM 674 C HIS A 44 -8.019 28.211 34.034 1.00 1.00 C ATOM 675 O HIS A 44 -9.098 28.387 33.456 1.00 1.00 O ATOM 676 CB HIS A 44 -8.288 30.616 34.614 1.00 1.00 C ATOM 677 CG HIS A 44 -7.813 31.788 35.419 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.010 32.827 35.095 1.00 1.00 N flip ATOM 679 CD2 HIS A 44 -8.087 31.896 36.753 1.00 1.00 C flip ATOM 680 CE1 HIS A 44 -6.827 33.554 36.242 1.00 1.00 C flip ATOM 681 NE2 HIS A 44 -7.490 32.976 37.228 1.00 1.00 N flip ATOM 0 H HIS A 44 -5.948 29.623 33.213 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.197 29.117 35.787 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.361 30.905 33.565 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.291 30.338 34.939 1.00 1.00 H new ATOM 0 HD1 HIS A 44 -6.617 33.030 34.176 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -8.693 31.210 37.327 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.236 34.454 36.326 1.00 1.00 H new ATOM 690 N PRO A 45 -7.478 26.991 34.040 1.00 1.00 N ATOM 691 CA PRO A 45 -8.121 25.842 33.415 1.00 1.00 C ATOM 692 C PRO A 45 -9.253 25.297 34.274 1.00 1.00 C ATOM 693 O PRO A 45 -9.199 25.401 35.503 1.00 1.00 O ATOM 694 CB PRO A 45 -6.974 24.821 33.299 1.00 1.00 C ATOM 695 CG PRO A 45 -6.078 25.123 34.503 1.00 1.00 C ATOM 696 CD PRO A 45 -6.174 26.643 34.621 1.00 1.00 C ATOM 0 HA PRO A 45 -8.582 26.085 32.458 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.348 23.797 33.328 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.432 24.936 32.360 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.431 24.624 35.405 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.052 24.794 34.337 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.108 26.963 35.661 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.361 27.132 34.085 1.00 1.00 H new ATOM 704 N GLU A 46 -10.282 24.726 33.624 1.00 1.00 N ATOM 705 CA GLU A 46 -11.350 23.940 34.215 1.00 1.00 C ATOM 706 C GLU A 46 -12.476 24.757 34.832 1.00 1.00 C ATOM 707 O GLU A 46 -13.122 24.327 35.790 1.00 1.00 O ATOM 708 CB GLU A 46 -10.899 22.772 35.143 1.00 1.00 C ATOM 709 CG GLU A 46 -9.773 21.848 34.596 1.00 1.00 C ATOM 710 CD GLU A 46 -10.081 21.077 33.324 1.00 1.00 C ATOM 711 OE1 GLU A 46 -11.163 21.238 32.704 1.00 1.00 O ATOM 712 OE2 GLU A 46 -9.200 20.274 32.910 1.00 1.00 O ATOM 0 H GLU A 46 -10.385 24.813 32.613 1.00 1.00 H new ATOM 0 HA GLU A 46 -11.772 23.453 33.336 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -10.562 23.197 36.088 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -11.770 22.155 35.363 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -8.888 22.459 34.418 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.513 21.130 35.374 1.00 1.00 H new ATOM 719 N ARG A 47 -12.773 25.942 34.266 1.00 1.00 N ATOM 720 CA ARG A 47 -13.867 26.797 34.706 1.00 1.00 C ATOM 721 C ARG A 47 -14.531 27.454 33.511 1.00 1.00 C ATOM 722 O ARG A 47 -13.869 27.854 32.553 1.00 1.00 O ATOM 723 CB ARG A 47 -13.403 27.933 35.654 1.00 1.00 C ATOM 724 CG ARG A 47 -13.143 27.473 37.100 1.00 1.00 C ATOM 725 CD ARG A 47 -12.781 28.634 38.030 1.00 1.00 C ATOM 726 NE ARG A 47 -12.743 28.077 39.414 1.00 1.00 N ATOM 727 CZ ARG A 47 -12.166 28.679 40.460 1.00 1.00 C ATOM 728 NH1 ARG A 47 -11.640 29.895 40.384 1.00 1.00 N ATOM 729 NH2 ARG A 47 -12.106 28.030 41.618 1.00 1.00 N ATOM 0 H ARG A 47 -12.247 26.328 33.482 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.556 26.146 35.244 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.491 28.376 35.255 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -14.160 28.717 35.663 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -14.031 26.969 37.482 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -12.334 26.742 37.105 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -11.816 29.062 37.758 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -13.517 29.434 37.955 1.00 1.00 H new ATOM 0 HE ARG A 47 -13.188 27.173 39.574 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -11.666 30.408 39.503 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -11.209 30.317 41.207 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -12.496 27.091 41.697 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -11.670 28.471 42.428 1.00 1.00 H new ATOM 743 N VAL A 48 -15.873 27.583 33.539 1.00 1.00 N ATOM 744 CA VAL A 48 -16.626 28.235 32.479 1.00 1.00 C ATOM 745 C VAL A 48 -16.656 29.743 32.680 1.00 1.00 C ATOM 746 O VAL A 48 -16.940 30.259 33.764 1.00 1.00 O ATOM 747 CB VAL A 48 -18.062 27.727 32.356 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.751 28.303 31.099 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.071 26.187 32.291 1.00 1.00 C ATOM 0 H VAL A 48 -16.453 27.234 34.302 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.103 27.986 31.555 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.615 28.060 33.234 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.771 27.924 31.038 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.771 29.391 31.161 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.198 28.001 30.210 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.098 25.833 32.203 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.498 25.856 31.425 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.624 25.782 33.199 1.00 1.00 H new ATOM 759 N TYR A 49 -16.369 30.491 31.608 1.00 1.00 N ATOM 760 CA TYR A 49 -16.359 31.939 31.586 1.00 1.00 C ATOM 761 C TYR A 49 -17.280 32.406 30.484 1.00 1.00 C ATOM 762 O TYR A 49 -17.216 31.949 29.342 1.00 1.00 O ATOM 763 CB TYR A 49 -14.932 32.504 31.365 1.00 1.00 C ATOM 764 CG TYR A 49 -14.043 32.163 32.534 1.00 1.00 C ATOM 765 CD1 TYR A 49 -14.278 32.729 33.800 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.972 31.265 32.385 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.470 32.393 34.897 1.00 1.00 C ATOM 768 CE2 TYR A 49 -12.158 30.935 33.480 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.411 31.495 34.737 1.00 1.00 C ATOM 770 OH TYR A 49 -11.602 31.131 35.833 1.00 1.00 O ATOM 0 H TYR A 49 -16.130 30.080 30.706 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.702 32.307 32.553 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.510 32.094 30.448 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.978 33.586 31.239 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -15.089 33.430 33.929 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.773 30.825 31.419 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.667 32.829 35.866 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.335 30.248 33.352 1.00 1.00 H new ATOM 0 HH TYR A 49 -12.131 31.171 36.657 1.00 1.00 H new ATOM 780 N SER A 50 -18.187 33.345 30.817 1.00 1.00 N ATOM 781 CA SER A 50 -18.985 34.073 29.844 1.00 1.00 C ATOM 782 C SER A 50 -18.108 34.973 28.996 1.00 1.00 C ATOM 783 O SER A 50 -16.981 35.309 29.368 1.00 1.00 O ATOM 784 CB SER A 50 -20.140 34.903 30.480 1.00 1.00 C ATOM 785 OG SER A 50 -19.653 36.006 31.251 1.00 1.00 O ATOM 0 H SER A 50 -18.379 33.613 31.782 1.00 1.00 H new ATOM 0 HA SER A 50 -19.453 33.315 29.216 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.795 35.274 29.692 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.743 34.255 31.116 1.00 1.00 H new ATOM 0 HG SER A 50 -20.410 36.500 31.630 1.00 1.00 H new ATOM 791 N ARG A 51 -18.587 35.407 27.816 1.00 1.00 N ATOM 792 CA ARG A 51 -17.858 36.353 26.987 1.00 1.00 C ATOM 793 C ARG A 51 -17.606 37.667 27.706 1.00 1.00 C ATOM 794 O ARG A 51 -16.525 38.235 27.605 1.00 1.00 O ATOM 795 CB ARG A 51 -18.593 36.585 25.653 1.00 1.00 C ATOM 796 CG ARG A 51 -18.639 35.305 24.804 1.00 1.00 C ATOM 797 CD ARG A 51 -19.645 35.365 23.657 1.00 1.00 C ATOM 798 NE ARG A 51 -19.585 34.037 22.983 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.366 32.992 23.273 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.209 32.965 24.300 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.296 31.928 22.481 1.00 1.00 N ATOM 0 H ARG A 51 -19.480 35.110 27.424 1.00 1.00 H new ATOM 0 HA ARG A 51 -16.883 35.915 26.774 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.609 36.928 25.851 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.093 37.376 25.094 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.647 35.115 24.395 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -18.886 34.461 25.448 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.649 35.568 24.030 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.395 36.166 22.962 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.894 33.916 22.243 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.285 33.773 24.918 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.780 32.137 24.470 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.661 31.927 21.683 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.877 31.112 22.671 1.00 1.00 H new ATOM 815 N GLU A 52 -18.572 38.130 28.522 1.00 1.00 N ATOM 816 CA GLU A 52 -18.394 39.254 29.423 1.00 1.00 C ATOM 817 C GLU A 52 -17.288 39.063 30.467 1.00 1.00 C ATOM 818 O GLU A 52 -16.486 39.971 30.695 1.00 1.00 O ATOM 819 CB GLU A 52 -19.731 39.589 30.123 1.00 1.00 C ATOM 820 CG GLU A 52 -19.769 40.989 30.791 1.00 1.00 C ATOM 821 CD GLU A 52 -19.760 42.147 29.811 1.00 1.00 C ATOM 822 OE1 GLU A 52 -19.986 41.975 28.585 1.00 1.00 O ATOM 823 OE2 GLU A 52 -19.563 43.310 30.260 1.00 1.00 O ATOM 0 H GLU A 52 -19.505 37.720 28.565 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.070 40.086 28.797 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -20.536 39.527 29.391 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.930 38.832 30.881 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -20.663 41.059 31.411 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -18.911 41.085 31.457 1.00 1.00 H new ATOM 830 N GLN A 53 -17.151 37.868 31.105 1.00 1.00 N ATOM 831 CA GLN A 53 -16.048 37.604 32.016 1.00 1.00 C ATOM 832 C GLN A 53 -14.706 37.624 31.297 1.00 1.00 C ATOM 833 O GLN A 53 -13.730 38.202 31.772 1.00 1.00 O ATOM 834 CB GLN A 53 -16.252 36.258 32.754 1.00 1.00 C ATOM 835 CG GLN A 53 -17.426 36.311 33.762 1.00 1.00 C ATOM 836 CD GLN A 53 -17.721 34.939 34.368 1.00 1.00 C ATOM 837 OE1 GLN A 53 -18.074 33.980 33.673 1.00 1.00 O ATOM 838 NE2 GLN A 53 -17.573 34.823 35.706 1.00 1.00 N ATOM 0 H GLN A 53 -17.798 37.088 30.993 1.00 1.00 H new ATOM 0 HA GLN A 53 -16.038 38.405 32.755 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.439 35.471 32.024 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -15.335 35.993 33.281 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -17.189 37.016 34.559 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -18.318 36.686 33.260 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -17.281 35.629 36.259 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -17.754 33.929 36.164 1.00 1.00 H new ATOM 847 N LEU A 54 -14.637 37.040 30.083 1.00 1.00 N ATOM 848 CA LEU A 54 -13.467 37.113 29.225 1.00 1.00 C ATOM 849 C LEU A 54 -13.110 38.535 28.799 1.00 1.00 C ATOM 850 O LEU A 54 -11.940 38.915 28.813 1.00 1.00 O ATOM 851 CB LEU A 54 -13.623 36.203 27.982 1.00 1.00 C ATOM 852 CG LEU A 54 -13.784 34.705 28.321 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.058 33.882 27.054 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.567 34.139 29.068 1.00 1.00 C ATOM 0 H LEU A 54 -15.405 36.503 29.680 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.637 36.751 29.831 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.491 36.531 27.410 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.751 36.329 27.340 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.642 34.627 28.988 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.167 32.831 27.320 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -14.975 34.235 26.582 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.226 33.996 26.359 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.731 33.083 29.283 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.676 34.250 28.449 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.429 34.682 30.003 1.00 1.00 H new ATOM 866 N LEU A 55 -14.100 39.388 28.457 1.00 1.00 N ATOM 867 CA LEU A 55 -13.871 40.803 28.205 1.00 1.00 C ATOM 868 C LEU A 55 -13.299 41.540 29.409 1.00 1.00 C ATOM 869 O LEU A 55 -12.296 42.239 29.282 1.00 1.00 O ATOM 870 CB LEU A 55 -15.160 41.535 27.752 1.00 1.00 C ATOM 871 CG LEU A 55 -15.659 41.174 26.336 1.00 1.00 C ATOM 872 CD1 LEU A 55 -16.995 41.873 26.058 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.645 41.538 25.245 1.00 1.00 C ATOM 0 H LEU A 55 -15.074 39.103 28.351 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.136 40.822 27.400 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -15.953 41.315 28.466 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -14.982 42.610 27.794 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.791 40.092 26.308 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.340 41.613 25.057 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -17.734 41.551 26.792 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -16.862 42.953 26.127 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.046 41.263 24.269 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.454 42.611 25.269 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.714 40.999 25.420 1.00 1.00 H new ATOM 885 N ASN A 56 -13.867 41.347 30.618 1.00 1.00 N ATOM 886 CA ASN A 56 -13.355 41.958 31.839 1.00 1.00 C ATOM 887 C ASN A 56 -11.941 41.503 32.200 1.00 1.00 C ATOM 888 O ASN A 56 -11.074 42.314 32.520 1.00 1.00 O ATOM 889 CB ASN A 56 -14.289 41.657 33.044 1.00 1.00 C ATOM 890 CG ASN A 56 -15.643 42.332 32.857 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.770 43.388 32.229 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.706 41.736 33.440 1.00 1.00 N ATOM 0 H ASN A 56 -14.691 40.763 30.763 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.323 43.028 31.634 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.425 40.580 33.145 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.826 42.008 33.966 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -17.632 42.158 33.365 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -16.583 40.864 33.955 1.00 1.00 H new ATOM 899 N HIS A 57 -11.663 40.187 32.129 1.00 1.00 N ATOM 900 CA HIS A 57 -10.360 39.620 32.444 1.00 1.00 C ATOM 901 C HIS A 57 -9.245 39.919 31.449 1.00 1.00 C ATOM 902 O HIS A 57 -8.078 40.032 31.831 1.00 1.00 O ATOM 903 CB HIS A 57 -10.447 38.087 32.602 1.00 1.00 C ATOM 904 CG HIS A 57 -11.293 37.652 33.758 1.00 1.00 C ATOM 905 ND1 HIS A 57 -12.265 36.705 33.823 1.00 1.00 N flip ATOM 906 CD2 HIS A 57 -11.030 38.160 35.018 1.00 1.00 C flip ATOM 907 CE1 HIS A 57 -12.615 36.619 35.150 1.00 1.00 C flip ATOM 908 NE2 HIS A 57 -11.849 37.506 35.824 1.00 1.00 N flip ATOM 0 H HIS A 57 -12.352 39.490 31.847 1.00 1.00 H new ATOM 0 HA HIS A 57 -10.092 40.116 33.377 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.851 37.658 31.685 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.441 37.685 32.727 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -10.313 38.923 35.284 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -13.362 35.965 35.575 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -11.897 37.653 36.832 1.00 1.00 H new ATOM 916 N VAL A 58 -9.559 39.998 30.142 1.00 1.00 N ATOM 917 CA VAL A 58 -8.566 40.099 29.078 1.00 1.00 C ATOM 918 C VAL A 58 -8.578 41.481 28.455 1.00 1.00 C ATOM 919 O VAL A 58 -7.663 42.274 28.669 1.00 1.00 O ATOM 920 CB VAL A 58 -8.769 39.016 28.023 1.00 1.00 C ATOM 921 CG1 VAL A 58 -7.711 39.102 26.903 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.684 37.648 28.722 1.00 1.00 C ATOM 0 H VAL A 58 -10.520 39.993 29.801 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.584 39.941 29.524 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.744 39.154 27.555 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -7.890 38.314 26.172 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -7.778 40.073 26.413 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.716 38.980 27.332 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.826 36.855 27.988 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.705 37.539 29.190 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.460 37.580 29.484 1.00 1.00 H new ATOM 932 N TRP A 59 -9.620 41.806 27.664 1.00 1.00 N ATOM 933 CA TRP A 59 -9.743 43.025 26.882 1.00 1.00 C ATOM 934 C TRP A 59 -9.741 44.310 27.696 1.00 1.00 C ATOM 935 O TRP A 59 -9.200 45.326 27.254 1.00 1.00 O ATOM 936 CB TRP A 59 -11.051 42.995 26.051 1.00 1.00 C ATOM 937 CG TRP A 59 -10.963 42.261 24.730 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.792 42.821 23.496 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.114 40.847 24.520 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.811 41.848 22.519 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.021 40.627 23.129 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.336 39.792 25.401 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.157 39.348 22.608 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.473 38.501 24.872 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.387 38.281 23.490 1.00 1.00 C ATOM 0 H TRP A 59 -10.427 41.191 27.557 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.854 43.041 26.252 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.834 42.533 26.653 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.362 44.021 25.857 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.660 43.877 23.311 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.691 42.003 21.518 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.401 39.964 26.465 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.087 39.177 21.544 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.647 37.667 25.536 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.499 37.280 23.100 1.00 1.00 H new ATOM 956 N GLY A 60 -10.373 44.289 28.883 1.00 1.00 N ATOM 957 CA GLY A 60 -10.416 45.430 29.786 1.00 1.00 C ATOM 958 C GLY A 60 -11.751 45.581 30.461 1.00 1.00 C ATOM 959 O GLY A 60 -12.808 45.287 29.905 1.00 1.00 O ATOM 0 H GLY A 60 -10.868 43.470 29.236 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.640 45.319 30.544 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -10.190 46.339 29.229 1.00 1.00 H new ATOM 963 N THR A 61 -11.756 46.098 31.698 1.00 1.00 N ATOM 964 CA THR A 61 -12.968 46.284 32.498 1.00 1.00 C ATOM 965 C THR A 61 -13.856 47.414 32.015 1.00 1.00 C ATOM 966 O THR A 61 -15.033 47.473 32.361 1.00 1.00 O ATOM 967 CB THR A 61 -12.696 46.531 33.981 1.00 1.00 C ATOM 968 OG1 THR A 61 -11.713 47.542 34.180 1.00 1.00 O ATOM 969 CG2 THR A 61 -12.173 45.237 34.621 1.00 1.00 C ATOM 0 H THR A 61 -10.906 46.401 32.174 1.00 1.00 H new ATOM 0 HA THR A 61 -13.481 45.331 32.369 1.00 1.00 H new ATOM 0 HB THR A 61 -13.632 46.854 34.436 1.00 1.00 H new ATOM 0 HG1 THR A 61 -11.568 47.673 35.140 1.00 1.00 H new ATOM 0 HG21 THR A 61 -11.977 45.408 35.680 1.00 1.00 H new ATOM 0 HG22 THR A 61 -12.919 44.450 34.512 1.00 1.00 H new ATOM 0 HG23 THR A 61 -11.251 44.933 34.126 1.00 1.00 H new ATOM 977 N ASN A 62 -13.337 48.335 31.182 1.00 1.00 N ATOM 978 CA ASN A 62 -14.106 49.431 30.621 1.00 1.00 C ATOM 979 C ASN A 62 -14.199 49.309 29.104 1.00 1.00 C ATOM 980 O ASN A 62 -14.648 50.232 28.423 1.00 1.00 O ATOM 981 CB ASN A 62 -13.468 50.795 30.991 1.00 1.00 C ATOM 982 CG ASN A 62 -13.483 50.984 32.503 1.00 1.00 C ATOM 983 OD1 ASN A 62 -14.498 51.384 33.079 1.00 1.00 O ATOM 984 ND2 ASN A 62 -12.352 50.704 33.184 1.00 1.00 N ATOM 0 H ASN A 62 -12.361 48.328 30.884 1.00 1.00 H new ATOM 0 HA ASN A 62 -15.110 49.380 31.043 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -12.444 50.839 30.621 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -14.016 51.605 30.509 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -12.324 50.822 34.197 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -11.525 50.374 32.686 1.00 1.00 H new ATOM 991 N VAL A 63 -13.801 48.157 28.515 1.00 1.00 N ATOM 992 CA VAL A 63 -13.889 47.900 27.080 1.00 1.00 C ATOM 993 C VAL A 63 -15.301 47.933 26.533 1.00 1.00 C ATOM 994 O VAL A 63 -16.290 47.618 27.200 1.00 1.00 O ATOM 995 CB VAL A 63 -13.129 46.640 26.656 1.00 1.00 C ATOM 996 CG1 VAL A 63 -13.986 45.370 26.813 1.00 1.00 C ATOM 997 CG2 VAL A 63 -12.586 46.784 25.224 1.00 1.00 C ATOM 0 H VAL A 63 -13.406 47.377 29.041 1.00 1.00 H new ATOM 0 HA VAL A 63 -13.381 48.745 26.614 1.00 1.00 H new ATOM 0 HB VAL A 63 -12.278 46.528 27.328 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -13.408 44.500 26.501 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -14.279 45.256 27.857 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -14.878 45.454 26.193 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -12.050 45.877 24.945 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -13.415 46.942 24.535 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -11.907 47.636 25.176 1.00 1.00 H new ATOM 1007 N TYR A 64 -15.409 48.403 25.286 1.00 1.00 N ATOM 1008 CA TYR A 64 -16.646 48.876 24.707 1.00 1.00 C ATOM 1009 C TYR A 64 -17.119 48.004 23.571 1.00 1.00 C ATOM 1010 O TYR A 64 -18.115 48.277 22.901 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.365 50.309 24.195 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.952 51.352 25.103 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -18.342 51.427 25.296 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -16.126 52.298 25.731 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -18.896 52.426 26.111 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -16.679 53.297 26.544 1.00 1.00 C ATOM 1017 CZ TYR A 64 -18.064 53.362 26.735 1.00 1.00 C ATOM 1018 OH TYR A 64 -18.620 54.370 27.550 1.00 1.00 O ATOM 0 H TYR A 64 -14.616 48.462 24.647 1.00 1.00 H new ATOM 0 HA TYR A 64 -17.438 48.853 25.455 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -15.289 50.462 24.115 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -16.779 50.425 23.193 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -18.989 50.710 24.813 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -15.057 52.256 25.587 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -19.965 52.472 26.257 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -16.035 54.018 27.024 1.00 1.00 H new ATOM 0 HH TYR A 64 -17.903 54.935 27.907 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.407 46.895 23.366 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.643 45.960 22.284 1.00 1.00 C ATOM 1030 C VAL A 65 -17.846 45.072 22.511 1.00 1.00 C ATOM 1031 O VAL A 65 -18.355 44.896 23.623 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.450 45.085 21.910 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.312 45.965 21.401 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -14.940 44.243 23.080 1.00 1.00 C ATOM 0 H VAL A 65 -15.631 46.622 23.969 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.836 46.626 21.443 1.00 1.00 H new ATOM 0 HB VAL A 65 -15.791 44.398 21.135 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.460 45.340 21.134 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.645 46.519 20.523 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -14.017 46.666 22.182 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.091 43.642 22.753 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.628 44.900 23.892 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -15.736 43.586 23.430 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.358 44.486 21.420 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.391 43.492 21.461 1.00 1.00 C ATOM 1046 C GLU A 66 -18.816 42.158 21.900 1.00 1.00 C ATOM 1047 O GLU A 66 -17.659 41.827 21.637 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.054 43.375 20.068 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.785 44.667 19.615 1.00 1.00 C ATOM 1050 CD GLU A 66 -22.052 44.920 20.431 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -23.162 44.490 20.175 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -21.860 45.706 21.549 1.00 1.00 O ATOM 0 H GLU A 66 -18.046 44.708 20.475 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.150 43.788 22.185 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.291 43.123 19.332 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -20.767 42.551 20.083 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -20.112 45.519 19.715 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -21.043 44.587 18.559 1.00 1.00 H new ATOM 1060 N ASP A 67 -19.641 41.334 22.565 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.310 40.015 23.071 1.00 1.00 C ATOM 1062 C ASP A 67 -18.853 39.095 21.939 1.00 1.00 C ATOM 1063 O ASP A 67 -18.005 38.226 22.112 1.00 1.00 O ATOM 1064 CB ASP A 67 -20.531 39.381 23.798 1.00 1.00 C ATOM 1065 CG ASP A 67 -20.943 40.097 25.068 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -20.759 41.334 25.212 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -21.529 39.429 25.966 1.00 1.00 O ATOM 0 H ASP A 67 -20.606 41.595 22.769 1.00 1.00 H new ATOM 0 HA ASP A 67 -18.493 40.130 23.783 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.379 39.365 23.113 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -20.297 38.344 24.039 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.369 39.321 20.718 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.018 38.577 19.525 1.00 1.00 C ATOM 1074 C ARG A 68 -17.630 38.880 18.961 1.00 1.00 C ATOM 1075 O ARG A 68 -17.151 38.185 18.063 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.106 38.767 18.440 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.480 38.193 18.846 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.462 36.675 19.036 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.808 36.262 19.512 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.019 35.136 20.200 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.107 34.174 20.303 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.184 34.959 20.815 1.00 1.00 N ATOM 0 H ARG A 68 -20.060 40.050 20.543 1.00 1.00 H new ATOM 0 HA ARG A 68 -18.972 37.533 19.834 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.213 39.830 18.225 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.778 38.287 17.518 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.805 38.666 19.773 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.214 38.449 18.082 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.218 36.175 18.098 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.697 36.389 19.758 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.605 36.864 19.305 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.201 34.279 19.846 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.313 33.331 20.839 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -24.905 35.678 20.759 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.357 34.104 21.343 1.00 1.00 H new ATOM 1096 N THR A 69 -16.899 39.889 19.481 1.00 1.00 N ATOM 1097 CA THR A 69 -15.469 40.029 19.213 1.00 1.00 C ATOM 1098 C THR A 69 -14.652 38.936 19.902 1.00 1.00 C ATOM 1099 O THR A 69 -13.595 38.509 19.424 1.00 1.00 O ATOM 1100 CB THR A 69 -15.023 41.431 19.588 1.00 1.00 C ATOM 1101 OG1 THR A 69 -15.678 42.315 18.689 1.00 1.00 O ATOM 1102 CG2 THR A 69 -13.517 41.648 19.413 1.00 1.00 C ATOM 0 H THR A 69 -17.284 40.613 20.087 1.00 1.00 H new ATOM 0 HA THR A 69 -15.287 39.893 18.147 1.00 1.00 H new ATOM 0 HB THR A 69 -15.264 41.599 20.638 1.00 1.00 H new ATOM 0 HG1 THR A 69 -15.422 43.239 18.893 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.261 42.669 19.697 1.00 1.00 H new ATOM 0 HG22 THR A 69 -12.972 40.948 20.046 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.244 41.482 18.371 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.171 38.375 21.020 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.622 37.185 21.654 1.00 1.00 C ATOM 1112 C VAL A 70 -14.705 35.966 20.743 1.00 1.00 C ATOM 1113 O VAL A 70 -13.702 35.279 20.560 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.273 36.882 23.003 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.563 35.708 23.707 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.215 38.137 23.899 1.00 1.00 C ATOM 0 H VAL A 70 -15.989 38.750 21.500 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.571 37.407 21.838 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.312 36.601 22.829 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.045 35.513 24.665 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -14.625 34.818 23.081 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.516 35.963 23.873 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -15.680 37.919 24.861 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.175 38.425 24.055 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -15.749 38.955 23.415 1.00 1.00 H new ATOM 1126 N ASP A 71 -15.860 35.713 20.076 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.079 34.575 19.188 1.00 1.00 C ATOM 1128 C ASP A 71 -15.058 34.495 18.055 1.00 1.00 C ATOM 1129 O ASP A 71 -14.514 33.429 17.764 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.482 34.625 18.502 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.658 34.491 19.449 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.533 34.816 20.650 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.756 34.097 18.963 1.00 1.00 O ATOM 0 H ASP A 71 -16.677 36.319 20.153 1.00 1.00 H new ATOM 0 HA ASP A 71 -15.988 33.708 19.842 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.574 35.568 17.963 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.537 33.827 17.761 1.00 1.00 H new ATOM 1138 N VAL A 72 -14.756 35.643 17.413 1.00 1.00 N ATOM 1139 CA VAL A 72 -13.757 35.780 16.358 1.00 1.00 C ATOM 1140 C VAL A 72 -12.338 35.497 16.841 1.00 1.00 C ATOM 1141 O VAL A 72 -11.580 34.752 16.220 1.00 1.00 O ATOM 1142 CB VAL A 72 -13.847 37.169 15.729 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -12.766 37.388 14.654 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.239 37.311 15.082 1.00 1.00 C ATOM 0 H VAL A 72 -15.222 36.524 17.630 1.00 1.00 H new ATOM 0 HA VAL A 72 -13.981 35.024 15.605 1.00 1.00 H new ATOM 0 HB VAL A 72 -13.690 37.915 16.509 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -12.868 38.389 14.234 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.779 37.282 15.104 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.885 36.648 13.862 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.329 38.296 14.625 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.365 36.544 14.318 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.009 37.193 15.845 1.00 1.00 H new ATOM 1154 N HIS A 73 -11.937 36.031 18.016 1.00 1.00 N ATOM 1155 CA HIS A 73 -10.615 35.733 18.562 1.00 1.00 C ATOM 1156 C HIS A 73 -10.493 34.309 19.106 1.00 1.00 C ATOM 1157 O HIS A 73 -9.424 33.712 19.034 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.197 36.732 19.658 1.00 1.00 C ATOM 1159 CG HIS A 73 -9.912 38.112 19.122 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -8.709 38.454 18.569 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -10.640 39.249 19.199 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -8.689 39.757 18.343 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -9.847 40.262 18.737 1.00 1.00 N ATOM 0 H HIS A 73 -12.504 36.657 18.587 1.00 1.00 H new ATOM 0 HA HIS A 73 -9.937 35.829 17.714 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -10.988 36.795 20.405 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -9.309 36.355 20.165 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -7.948 37.807 18.363 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -11.655 39.339 19.557 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -7.870 40.313 17.912 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.582 33.704 19.629 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.656 32.282 19.965 1.00 1.00 C ATOM 1174 C ILE A 74 -11.456 31.400 18.735 1.00 1.00 C ATOM 1175 O ILE A 74 -10.705 30.426 18.771 1.00 1.00 O ATOM 1176 CB ILE A 74 -12.985 31.957 20.664 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.009 32.505 22.113 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.330 30.450 20.642 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.167 31.715 23.124 1.00 1.00 C ATOM 0 H ILE A 74 -12.446 34.208 19.830 1.00 1.00 H new ATOM 0 HA ILE A 74 -10.842 32.064 20.656 1.00 1.00 H new ATOM 0 HB ILE A 74 -13.759 32.463 20.088 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -12.658 33.537 22.100 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.042 32.524 22.460 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.280 30.287 21.151 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.409 30.110 19.609 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.545 29.890 21.150 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.250 32.178 24.107 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.529 30.688 23.175 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.124 31.717 22.809 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.081 31.755 17.592 1.00 1.00 N ATOM 1192 CA ARG A 75 -11.906 31.073 16.319 1.00 1.00 C ATOM 1193 C ARG A 75 -10.458 31.136 15.821 1.00 1.00 C ATOM 1194 O ARG A 75 -9.859 30.123 15.461 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.898 31.680 15.290 1.00 1.00 C ATOM 1196 CG ARG A 75 -13.428 30.718 14.202 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.412 30.150 13.211 1.00 1.00 C ATOM 1198 NE ARG A 75 -11.797 31.323 12.529 1.00 1.00 N ATOM 1199 CZ ARG A 75 -10.738 31.244 11.717 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.182 30.098 11.362 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -10.214 32.381 11.277 1.00 1.00 N ATOM 0 H ARG A 75 -12.731 32.540 17.541 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.124 30.013 16.451 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.751 32.085 15.834 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.408 32.519 14.796 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.916 29.881 14.701 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -14.196 31.242 13.634 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -11.655 29.558 13.726 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -12.897 29.491 12.491 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.209 32.242 12.691 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -10.561 29.218 11.711 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -9.374 30.094 10.739 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -10.620 33.273 11.560 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -9.405 32.363 10.656 1.00 1.00 H new ATOM 1215 N ARG A 76 -9.819 32.327 15.881 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.394 32.487 15.643 1.00 1.00 C ATOM 1217 C ARG A 76 -7.492 31.694 16.587 1.00 1.00 C ATOM 1218 O ARG A 76 -6.515 31.086 16.151 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.003 33.979 15.741 1.00 1.00 C ATOM 1220 CG ARG A 76 -8.438 34.793 14.512 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.013 36.261 14.597 1.00 1.00 C ATOM 1222 NE ARG A 76 -8.088 36.790 13.197 1.00 1.00 N ATOM 1223 CZ ARG A 76 -7.035 37.152 12.449 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -5.831 37.389 12.959 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -7.159 37.278 11.131 1.00 1.00 N ATOM 0 H ARG A 76 -10.296 33.202 16.099 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.232 32.089 14.641 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.455 34.410 16.634 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -6.922 34.059 15.860 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.010 34.346 13.615 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -9.522 34.738 14.409 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -8.671 36.821 15.262 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.003 36.353 14.996 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.014 36.882 12.779 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -5.675 37.298 13.963 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -5.062 37.662 12.346 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -8.058 37.099 10.684 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -6.355 37.554 10.567 1.00 1.00 H new ATOM 1239 N LEU A 77 -7.799 31.659 17.901 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.074 30.872 18.887 1.00 1.00 C ATOM 1241 C LEU A 77 -7.139 29.371 18.624 1.00 1.00 C ATOM 1242 O LEU A 77 -6.134 28.668 18.682 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.587 31.194 20.314 1.00 1.00 C ATOM 1244 CG LEU A 77 -6.836 30.499 21.472 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.336 30.837 21.493 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.471 30.867 22.822 1.00 1.00 C ATOM 0 H LEU A 77 -8.573 32.190 18.300 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.025 31.155 18.802 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.531 32.272 20.465 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.640 30.918 20.372 1.00 1.00 H new ATOM 0 HG LEU A 77 -6.926 29.426 21.303 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -4.859 30.322 22.327 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -4.878 30.516 20.558 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.207 31.913 21.610 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -6.930 30.369 23.626 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.421 31.946 22.965 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.513 30.547 22.833 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.316 28.830 18.260 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.442 27.458 17.799 1.00 1.00 C ATOM 1260 C ARG A 78 -7.633 27.152 16.549 1.00 1.00 C ATOM 1261 O ARG A 78 -6.914 26.156 16.504 1.00 1.00 O ATOM 1262 CB ARG A 78 -9.925 27.154 17.537 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.702 27.016 18.852 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.199 27.225 18.671 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.807 26.776 19.949 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.111 26.883 20.224 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -14.940 27.578 19.457 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.583 26.253 21.293 1.00 1.00 N ATOM 0 H ARG A 78 -9.199 29.341 18.281 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.038 26.822 18.587 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.362 27.951 16.935 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.014 26.233 16.960 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.525 26.026 19.272 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.322 27.741 19.572 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.430 28.271 18.470 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.579 26.647 17.829 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.197 26.364 20.655 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.588 28.053 18.626 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -15.929 27.637 19.698 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -13.955 25.705 21.881 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.574 26.317 21.527 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.661 28.040 15.536 1.00 1.00 N ATOM 1283 CA LYS A 79 -6.861 27.912 14.328 1.00 1.00 C ATOM 1284 C LYS A 79 -5.355 27.929 14.595 1.00 1.00 C ATOM 1285 O LYS A 79 -4.562 27.221 13.970 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.263 29.015 13.314 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.743 28.814 11.877 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.173 27.461 11.286 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.882 27.280 9.796 1.00 1.00 C ATOM 1290 NZ LYS A 79 -7.129 25.876 9.445 1.00 1.00 N ATOM 0 H LYS A 79 -8.251 28.872 15.545 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.073 26.931 13.903 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.351 29.077 13.283 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.899 29.974 13.683 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -7.113 29.619 11.243 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -5.655 28.880 11.874 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -6.671 26.666 11.837 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -8.243 27.335 11.449 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -7.518 27.937 9.202 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -5.849 27.551 9.575 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -6.273 25.470 9.016 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -7.373 25.341 10.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -7.916 25.821 8.767 1.00 1.00 H new ATOM 1304 N ALA A 80 -4.922 28.725 15.590 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.571 28.738 16.106 1.00 1.00 C ATOM 1306 C ALA A 80 -3.112 27.424 16.736 1.00 1.00 C ATOM 1307 O ALA A 80 -1.968 27.006 16.549 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.420 29.883 17.121 1.00 1.00 C ATOM 0 H ALA A 80 -5.534 29.392 16.061 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.924 28.888 15.242 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.402 29.893 17.510 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.630 30.834 16.631 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.121 29.736 17.943 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.987 26.723 17.493 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.601 25.548 18.241 1.00 1.00 C ATOM 1316 C LEU A 81 -3.923 24.268 17.481 1.00 1.00 C ATOM 1317 O LEU A 81 -3.512 23.181 17.886 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.362 25.526 19.591 1.00 1.00 C ATOM 1319 CG LEU A 81 -4.116 26.728 20.530 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -5.063 26.654 21.738 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.662 26.828 21.008 1.00 1.00 C ATOM 0 H LEU A 81 -4.972 26.971 17.589 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.524 25.594 18.403 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.430 25.467 19.382 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.091 24.614 20.123 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.320 27.628 19.950 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.883 27.505 22.394 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.096 26.675 21.392 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.883 25.729 22.286 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.553 27.692 21.664 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.395 25.923 21.553 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -2.003 26.941 20.147 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.633 24.364 16.338 1.00 1.00 N ATOM 1334 CA GLU A 82 -5.029 23.247 15.493 1.00 1.00 C ATOM 1335 C GLU A 82 -3.894 22.399 14.906 1.00 1.00 C ATOM 1336 O GLU A 82 -3.995 21.176 15.040 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.982 23.730 14.368 1.00 1.00 C ATOM 1338 CG GLU A 82 -6.568 22.581 13.511 1.00 1.00 C ATOM 1339 CD GLU A 82 -7.543 23.080 12.453 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -7.816 24.242 12.215 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -8.126 22.041 11.781 1.00 1.00 O ATOM 0 H GLU A 82 -4.953 25.262 15.975 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.543 22.568 16.174 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.802 24.292 14.815 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.442 24.418 13.717 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -5.754 22.043 13.025 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -7.076 21.870 14.162 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.783 22.873 14.321 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.750 21.977 13.786 1.00 1.00 C ATOM 1351 C PRO A 83 -0.906 21.407 14.911 1.00 1.00 C ATOM 1352 O PRO A 83 -0.175 20.435 14.709 1.00 1.00 O ATOM 1353 CB PRO A 83 -0.925 22.879 12.852 1.00 1.00 C ATOM 1354 CG PRO A 83 -1.145 24.299 13.387 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.595 24.254 13.861 1.00 1.00 C ATOM 0 HA PRO A 83 -2.159 21.113 13.262 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.131 22.608 12.871 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -1.259 22.789 11.818 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.460 24.537 14.201 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -0.994 25.052 12.613 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.773 24.969 14.664 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.285 24.502 13.055 1.00 1.00 H new ATOM 1363 N GLY A 84 -1.008 22.010 16.112 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.455 21.500 17.357 1.00 1.00 C ATOM 1365 C GLY A 84 -1.356 20.522 18.067 1.00 1.00 C ATOM 1366 O GLY A 84 -0.988 19.998 19.115 1.00 1.00 O ATOM 0 H GLY A 84 -1.498 22.897 16.233 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.499 21.016 17.149 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.248 22.338 18.022 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.572 20.262 17.541 1.00 1.00 N ATOM 1371 CA GLY A 85 -3.518 19.294 18.098 1.00 1.00 C ATOM 1372 C GLY A 85 -4.300 19.760 19.302 1.00 1.00 C ATOM 1373 O GLY A 85 -4.964 18.966 19.959 1.00 1.00 O ATOM 0 H GLY A 85 -2.921 20.730 16.705 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -4.224 19.012 17.316 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -2.969 18.393 18.371 1.00 1.00 H new ATOM 1377 N HIS A 86 -4.222 21.057 19.664 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.728 21.539 20.944 1.00 1.00 C ATOM 1379 C HIS A 86 -5.834 22.572 20.845 1.00 1.00 C ATOM 1380 O HIS A 86 -6.158 23.236 21.827 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.580 22.064 21.834 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.613 20.968 22.198 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -1.320 20.774 21.852 1.00 1.00 N flip ATOM 1384 CD2 HIS A 86 -2.998 19.874 22.918 1.00 1.00 C flip ATOM 1385 CE1 HIS A 86 -0.946 19.566 22.376 1.00 1.00 C flip ATOM 1386 NE2 HIS A 86 -1.978 19.035 23.014 1.00 1.00 N flip ATOM 0 H HIS A 86 -3.810 21.783 19.078 1.00 1.00 H new ATOM 0 HA HIS A 86 -5.185 20.665 21.408 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -3.049 22.860 21.311 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.994 22.501 22.743 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -3.979 19.718 23.342 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.033 19.118 22.284 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -1.986 18.136 23.496 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.512 22.680 19.685 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.800 23.340 19.530 1.00 1.00 C ATOM 1397 C ASP A 87 -8.888 22.812 20.485 1.00 1.00 C ATOM 1398 O ASP A 87 -9.739 23.554 20.977 1.00 1.00 O ATOM 1399 CB ASP A 87 -8.262 23.259 18.041 1.00 1.00 C ATOM 1400 CG ASP A 87 -8.478 21.860 17.488 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -8.110 20.842 18.122 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -9.088 21.758 16.392 1.00 1.00 O ATOM 0 H ASP A 87 -6.157 22.294 18.810 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.656 24.384 19.810 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -9.193 23.817 17.939 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -7.519 23.763 17.422 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.823 21.503 20.798 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.705 20.752 21.671 1.00 1.00 C ATOM 1409 C ARG A 88 -9.839 21.322 23.072 1.00 1.00 C ATOM 1410 O ARG A 88 -10.908 21.261 23.679 1.00 1.00 O ATOM 1411 CB ARG A 88 -9.198 19.295 21.829 1.00 1.00 C ATOM 1412 CG ARG A 88 -9.025 18.493 20.521 1.00 1.00 C ATOM 1413 CD ARG A 88 -10.308 18.299 19.700 1.00 1.00 C ATOM 1414 NE ARG A 88 -10.431 19.437 18.737 1.00 1.00 N ATOM 1415 CZ ARG A 88 -11.481 19.590 17.918 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -12.581 18.854 18.025 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -11.425 20.486 16.939 1.00 1.00 N ATOM 0 H ARG A 88 -8.090 20.910 20.409 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.679 20.805 21.185 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -8.239 19.319 22.347 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.894 18.757 22.472 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -8.287 18.999 19.898 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -8.617 17.512 20.766 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -10.275 17.351 19.164 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -11.177 18.263 20.357 1.00 1.00 H new ATOM 0 HE ARG A 88 -9.682 20.128 18.702 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -12.649 18.141 18.751 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -13.358 19.002 17.381 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -10.586 21.053 16.814 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -12.221 20.607 16.312 1.00 1.00 H new ATOM 1431 N MET A 89 -8.755 21.890 23.633 1.00 1.00 N ATOM 1432 CA MET A 89 -8.738 22.466 24.967 1.00 1.00 C ATOM 1433 C MET A 89 -9.712 23.617 25.155 1.00 1.00 C ATOM 1434 O MET A 89 -10.325 23.758 26.208 1.00 1.00 O ATOM 1435 CB MET A 89 -7.335 22.974 25.365 1.00 1.00 C ATOM 1436 CG MET A 89 -6.206 21.957 25.118 1.00 1.00 C ATOM 1437 SD MET A 89 -4.560 22.520 25.643 1.00 1.00 S ATOM 1438 CE MET A 89 -4.941 22.421 27.410 1.00 1.00 C ATOM 0 H MET A 89 -7.857 21.957 23.154 1.00 1.00 H new ATOM 0 HA MET A 89 -9.044 21.640 25.609 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.118 23.885 24.807 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.343 23.242 26.421 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.445 21.032 25.644 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.173 21.720 24.055 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.026 22.551 27.987 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.650 23.205 27.674 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.377 21.447 27.634 1.00 1.00 H new ATOM 1448 N VAL A 90 -9.870 24.459 24.117 1.00 1.00 N ATOM 1449 CA VAL A 90 -10.812 25.567 24.098 1.00 1.00 C ATOM 1450 C VAL A 90 -12.208 25.059 23.746 1.00 1.00 C ATOM 1451 O VAL A 90 -12.558 24.858 22.581 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.397 26.659 23.109 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.344 27.873 23.218 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -8.947 27.107 23.390 1.00 1.00 C ATOM 0 H VAL A 90 -9.330 24.377 23.256 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.817 26.007 25.095 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.459 26.251 22.100 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.035 28.640 22.508 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.364 27.560 22.993 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.303 28.277 24.230 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.662 27.884 22.681 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.877 27.499 24.405 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.276 26.255 23.283 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.051 24.840 24.767 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.381 24.277 24.649 1.00 1.00 C ATOM 1466 C GLN A 91 -15.443 25.367 24.589 1.00 1.00 C ATOM 1467 O GLN A 91 -15.248 26.479 25.078 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.698 23.375 25.867 1.00 1.00 C ATOM 1469 CG GLN A 91 -13.753 22.160 26.021 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.094 21.382 27.293 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -14.886 21.830 28.126 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -13.492 20.186 27.460 1.00 1.00 N ATOM 0 H GLN A 91 -12.803 25.063 25.731 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.399 23.696 23.727 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.647 23.978 26.774 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.723 23.015 25.781 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -13.843 21.508 25.152 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -12.718 22.498 26.060 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -12.841 19.840 26.755 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -13.688 19.628 28.291 1.00 1.00 H new ATOM 1481 N THR A 92 -16.614 25.056 24.000 1.00 1.00 N ATOM 1482 CA THR A 92 -17.744 25.976 23.872 1.00 1.00 C ATOM 1483 C THR A 92 -18.852 25.504 24.769 1.00 1.00 C ATOM 1484 O THR A 92 -19.110 24.308 24.883 1.00 1.00 O ATOM 1485 CB THR A 92 -18.312 26.092 22.456 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.303 26.556 21.576 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.453 27.118 22.358 1.00 1.00 C ATOM 0 H THR A 92 -16.797 24.138 23.594 1.00 1.00 H new ATOM 0 HA THR A 92 -17.362 26.960 24.145 1.00 1.00 H new ATOM 0 HB THR A 92 -18.681 25.100 22.196 1.00 1.00 H new ATOM 0 HG1 THR A 92 -16.983 27.432 21.878 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.818 27.159 21.332 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.266 26.822 23.021 1.00 1.00 H new ATOM 0 HG23 THR A 92 -19.085 28.101 22.652 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.528 26.439 25.463 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.700 26.144 26.261 1.00 1.00 C ATOM 1497 C VAL A 93 -21.870 26.956 25.712 1.00 1.00 C ATOM 1498 O VAL A 93 -21.978 28.163 25.942 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.455 26.497 27.726 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.675 26.105 28.575 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.204 25.755 28.244 1.00 1.00 C ATOM 0 H VAL A 93 -19.262 27.424 25.476 1.00 1.00 H new ATOM 0 HA VAL A 93 -20.924 25.079 26.207 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.295 27.572 27.806 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.490 26.361 29.618 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.554 26.643 28.220 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.848 25.032 28.490 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -19.036 26.012 29.290 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.356 24.679 28.154 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.336 26.049 27.654 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.791 26.299 24.966 1.00 1.00 N ATOM 1512 CA ARG A 94 -23.956 26.904 24.327 1.00 1.00 C ATOM 1513 C ARG A 94 -24.839 27.719 25.270 1.00 1.00 C ATOM 1514 O ARG A 94 -25.320 27.227 26.293 1.00 1.00 O ATOM 1515 CB ARG A 94 -24.838 25.823 23.631 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.005 26.371 22.774 1.00 1.00 C ATOM 1517 CD ARG A 94 -26.982 25.299 22.257 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.024 26.020 21.456 1.00 1.00 N ATOM 1519 CZ ARG A 94 -29.164 26.523 21.945 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -29.614 26.261 23.163 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -29.865 27.352 21.167 1.00 1.00 N ATOM 0 H ARG A 94 -22.729 25.296 24.794 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.540 27.595 23.594 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.199 25.211 22.995 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.249 25.165 24.397 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -26.563 27.097 23.366 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.590 26.907 21.920 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.461 24.564 21.643 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.437 24.757 23.086 1.00 1.00 H new ATOM 0 HE ARG A 94 -27.850 26.137 20.458 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -29.084 25.647 23.781 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -30.491 26.673 23.482 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -29.527 27.583 20.233 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -30.739 27.754 21.507 1.00 1.00 H new ATOM 1535 N GLY A 95 -25.072 29.004 24.925 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.916 29.937 25.662 1.00 1.00 C ATOM 1537 C GLY A 95 -25.241 30.598 26.834 1.00 1.00 C ATOM 1538 O GLY A 95 -25.864 31.368 27.564 1.00 1.00 O ATOM 0 H GLY A 95 -24.657 29.424 24.093 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -26.266 30.710 24.977 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.798 29.405 26.019 1.00 1.00 H new ATOM 1542 N THR A 96 -23.941 30.325 27.046 1.00 1.00 N ATOM 1543 CA THR A 96 -23.213 30.770 28.235 1.00 1.00 C ATOM 1544 C THR A 96 -21.861 31.335 27.860 1.00 1.00 C ATOM 1545 O THR A 96 -21.568 32.495 28.146 1.00 1.00 O ATOM 1546 CB THR A 96 -23.002 29.651 29.253 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.248 29.186 29.753 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.215 30.129 30.486 1.00 1.00 C ATOM 0 H THR A 96 -23.370 29.788 26.393 1.00 1.00 H new ATOM 0 HA THR A 96 -23.834 31.540 28.693 1.00 1.00 H new ATOM 0 HB THR A 96 -22.454 28.872 28.723 1.00 1.00 H new ATOM 0 HG1 THR A 96 -24.093 28.468 30.402 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.090 29.299 31.182 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.236 30.492 30.174 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.761 30.934 30.977 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.967 30.555 27.216 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.612 31.044 26.989 1.00 1.00 C ATOM 1558 C GLY A 97 -18.645 29.970 26.583 1.00 1.00 C ATOM 1559 O GLY A 97 -18.926 29.159 25.705 1.00 1.00 O ATOM 0 H GLY A 97 -21.159 29.619 26.859 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.636 31.811 26.215 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.250 31.522 27.899 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.453 29.955 27.205 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.360 29.084 26.810 1.00 1.00 C ATOM 1565 C TYR A 98 -15.631 28.553 28.044 1.00 1.00 C ATOM 1566 O TYR A 98 -15.807 29.047 29.158 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.332 29.809 25.890 1.00 1.00 C ATOM 1568 CG TYR A 98 -15.966 30.345 24.627 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.282 29.484 23.561 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.244 31.716 24.489 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -16.871 29.986 22.390 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.794 32.219 23.298 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.113 31.347 22.251 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.735 31.813 21.074 1.00 1.00 O ATOM 0 H TYR A 98 -17.231 30.555 27.999 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.801 28.260 26.249 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.873 30.631 26.440 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.533 29.116 25.626 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -16.070 28.428 23.644 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -16.033 32.389 25.307 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.138 29.310 21.592 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.971 33.279 23.190 1.00 1.00 H new ATOM 0 HH TYR A 98 -18.133 31.057 20.593 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.791 27.514 27.872 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.042 26.883 28.950 1.00 1.00 C ATOM 1586 C ARG A 99 -12.704 26.419 28.397 1.00 1.00 C ATOM 1587 O ARG A 99 -12.595 26.078 27.222 1.00 1.00 O ATOM 1588 CB ARG A 99 -14.831 25.667 29.526 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.073 24.753 30.522 1.00 1.00 C ATOM 1590 CD ARG A 99 -14.945 23.646 31.126 1.00 1.00 C ATOM 1591 NE ARG A 99 -14.062 22.752 31.949 1.00 1.00 N ATOM 1592 CZ ARG A 99 -14.535 21.846 32.820 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -15.831 21.705 33.060 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -13.677 21.053 33.454 1.00 1.00 N ATOM 0 H ARG A 99 -14.618 27.090 26.960 1.00 1.00 H new ATOM 0 HA ARG A 99 -13.888 27.599 29.757 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.724 26.046 30.024 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.168 25.054 28.690 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.225 24.297 30.011 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -13.668 25.365 31.328 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -15.732 24.077 31.744 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -15.435 23.075 30.338 1.00 1.00 H new ATOM 0 HE ARG A 99 -13.051 22.837 31.841 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -16.507 22.296 32.576 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -16.153 21.005 33.729 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -12.676 21.138 33.276 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -14.019 20.359 34.119 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.640 26.386 29.226 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.364 25.804 28.863 1.00 1.00 C ATOM 1610 C PHE A 100 -10.192 24.533 29.674 1.00 1.00 C ATOM 1611 O PHE A 100 -10.562 24.482 30.846 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.219 26.798 29.163 1.00 1.00 C ATOM 1613 CG PHE A 100 -7.918 26.396 28.526 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -7.768 26.460 27.131 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -6.808 26.059 29.315 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.524 26.218 26.535 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.565 25.802 28.724 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.421 25.891 27.332 1.00 1.00 C ATOM 0 H PHE A 100 -11.659 26.770 30.171 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.335 25.578 27.797 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.502 27.789 28.808 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.082 26.873 30.242 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.620 26.698 26.512 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -6.913 25.997 30.388 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.416 26.284 25.462 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.718 25.536 29.339 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.460 25.707 26.875 1.00 1.00 H new ATOM 1628 N SER A 101 -9.667 23.446 29.077 1.00 1.00 N ATOM 1629 CA SER A 101 -9.665 22.168 29.776 1.00 1.00 C ATOM 1630 C SER A 101 -8.439 21.344 29.485 1.00 1.00 C ATOM 1631 O SER A 101 -7.866 21.373 28.398 1.00 1.00 O ATOM 1632 CB SER A 101 -10.921 21.313 29.455 1.00 1.00 C ATOM 1633 OG SER A 101 -11.021 20.165 30.304 1.00 1.00 O ATOM 0 H SER A 101 -9.254 23.434 28.144 1.00 1.00 H new ATOM 0 HA SER A 101 -9.670 22.433 30.833 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.815 21.926 29.568 1.00 1.00 H new ATOM 0 HB3 SER A 101 -10.884 20.992 28.414 1.00 1.00 H new ATOM 0 HG SER A 101 -11.269 20.448 31.209 1.00 1.00 H new ATOM 1639 N THR A 102 -8.020 20.561 30.492 1.00 1.00 N ATOM 1640 CA THR A 102 -6.842 19.710 30.493 1.00 1.00 C ATOM 1641 C THR A 102 -7.228 18.250 30.457 1.00 1.00 C ATOM 1642 O THR A 102 -6.410 17.370 30.711 1.00 1.00 O ATOM 1643 CB THR A 102 -5.919 19.948 31.689 1.00 1.00 C ATOM 1644 OG1 THR A 102 -6.567 19.871 32.963 1.00 1.00 O ATOM 1645 CG2 THR A 102 -5.287 21.339 31.550 1.00 1.00 C ATOM 0 H THR A 102 -8.531 20.509 31.373 1.00 1.00 H new ATOM 0 HA THR A 102 -6.291 19.978 29.591 1.00 1.00 H new ATOM 0 HB THR A 102 -5.179 19.148 31.669 1.00 1.00 H new ATOM 0 HG1 THR A 102 -7.409 20.371 32.932 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.625 21.524 32.396 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.714 21.387 30.624 1.00 1.00 H new ATOM 0 HG23 THR A 102 -6.072 22.095 31.531 1.00 1.00 H new